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NCID-ZINC01646082

 MMsINC code: MMs02286726
Type: Neutral
Formula: C23H24O4
SMILES:   OC(=O)c1c2CCCc2ccc1CC(Cc1cc2CCCc2cc1)C(O)=O
InChI:   InChI=1/C23H24O4/c24-22(25)19(12-14-7-8-15-3-1-5-17(15)11-14)13-18-10-9-16-4-2-6-20(16)21(18)23(26)27/h7-11,19H,1-6,12-13H2,(H,24,25)(H,26,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.7844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.441 g/mol  logS: -5.69304  SlogP: 3.84802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101295  Sterimol/B1: 3.13211  Sterimol/B2: 3.65754  Sterimol/B3: 4.44568
  Sterimol/B4: 6.19285  Sterimol/L: 17.4355 
 
 Surface and Volume Properties
  Accessible surface: 622.367  Positive charged surface: 404.741  Negative charged surface: 217.626  Volume: 354.625
  Hydrophobic surface: 494.613  Hydrophilic surface: 127.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02286727
NCID-ZINC01646082